5-(5-cyclohexyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione

C15H18N4O3 — CID 146888137

IUPAC5-(5-cyclohexyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione
SMILESCOc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CCCCC1
InChIInChI=1S/C15H18N4O3/c1-22-14-10(9-5-3-2-4-6-9)7-12(18-19-14)11-8-16-15(21)17-13(11)20/h7-9H,2-6H2,1H3,(H2,16,17,20,21)
InChIKeySXYGAMFZVLJUQD-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.58
Rot. Bonds3

About 5-(5-cyclohexyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione

5-(5-cyclohexyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione (PubChem CID 146888137) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-(5-cyclohexyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(5-cyclohexyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione
PubChem CID146888137
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name5-(5-cyclohexyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione
SMILESCOc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CCCCC1
InChIInChI=1S/C15H18N4O3/c1-22-14-10(9-5-3-2-4-6-9)7-12(18-19-14)11-8-16-15(21)17-13(11)20/h7-9H,2-6H2,1H3,(H2,16,17,20,21)
InChIKeySXYGAMFZVLJUQD-UHFFFAOYSA-N
XLogP1.58
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclohexyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(5-cyclohexyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione (CID 146888137) is 5-(5-cyclohexyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(5-cyclohexyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(5-cyclohexyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione is COc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CCCCC1.
What is the InChIKey of 5-(5-cyclohexyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is SXYGAMFZVLJUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-22-14-10(9-5-3-2-4-6-9)7-12(18-19-14)11-8-16-15(21)17-13(11)20/h7-9H,2-6H2,1H3,(H2,16,17,20,21).
What are the key properties of 5-(5-cyclohexyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione?
5-(5-cyclohexyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 302.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclohexyl-6-methoxypyridazin-3-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 146888137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).